2-[1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-2-yl]-N-(4-piperazin-1-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-2-yl]-N-(4-piperazin-1-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridyl)thiazole-4-carboxamide CAS Name: 2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-[4-(1-piperazinyl)-3-pyridinyl]-4-thiazolecarboxamide IUPAC Name: 2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(1,1-diketo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazino-3-pyridyl)thiazole-4-carboxamide Formula: C20H20N6O3S2 MolecularWeight: 456.5412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=NC=C2)NC(=O)C3=CSC(=N3)N4CC5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CN(CCN1)C2=C(C=NC=C2)NC(=O)C3=CSC(=N3)N4CC5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C20H20N6O3S2/c27-19(23-15-11-22-6-5-17(15)25-9-7-21-8-10-25)16-13-30-20(24-16)26-12-14-3-1-2-4-18(14)31(26,28)29/h1-6,11,13,21H,7-10,12H2,(H,23,27)